2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-acetamide Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C17H21N5O3S/c1-2-22(9-11-3-4-12-13(7-11)25-6-5-24-12)16(23)10-26-17-20-14(18)8-15(19)21-17/h3-4,7-8H,2,5-6,9-10H2,1H3,(H4,18,19,20,21)